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	hartrees
Energy at 0K	-1340.573666
Energy at 298.15K	-1340.575873
HF Energy	-1340.573666
Nuclear repulsion energy	578.701413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	841	750	180.58
2	A₁	619	552	0.35
3	A₁	431	385	67.01
4	A₁	309	276	0.08
5	B₁	321	286	0.00
6	B₂	600	535	0.00
7	B₂	216	192	0.00
8	E	929	829	123.60
8	E	929	829	123.60
9	E	370	330	18.90
9	E	370	330	18.90
10	E	282	252	1.43
10	E	282	252	1.43
11	E	172	154	1.52
11	E	172	154	1.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.300
Cl2	0.000	0.000	2.016
F3	0.000	1.733	-0.311
F4	1.733	0.000	-0.311
F5	0.000	-1.733	-0.311
F6	-1.733	0.000	-0.311
F7	0.000	0.000	-2.031

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3159	1.7326	1.7326	1.7326	1.7326	1.7309
Cl2	2.3159		2.9004	2.9004	2.9004	2.9004	4.0468
F3	1.7326	2.9004		2.4502	3.4650	2.4502	2.4418
F4	1.7326	2.9004	2.4502		2.4502	3.4650	2.4418
F5	1.7326	2.9004	3.4650	2.4502		2.4502	2.4418
F6	1.7326	2.9004	2.4502	3.4650	2.4502		2.4418
F7	1.7309	4.0468	2.4418	2.4418	2.4418	2.4418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.336	Cl2	S1	F4	90.336
Cl2	S1	F5	90.336	Cl2	S1	F6	90.336
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.328	F3	S1	F6	89.998
F3	S1	F7	89.664	F4	S1	F5	89.998
F4	S1	F6	179.328	F4	S1	F7	89.664
F5	S1	F6	89.998	F5	S1	F7	89.664
F6	S1	F7	89.664

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)

using model chemistry: B3LYP/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.993
2	Cl	-0.344
3	F	-0.127
4	F	-0.127
5	F	-0.127
6	F	-0.127
7	F	-0.142

	x	y	z	Total
	0.000	0.000	-2.934	2.934
CHELPG
AIM
ESP

<r²>	247.994
(<r²>)^1/2	15.748

All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)